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2301.06194
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Geometric Graph Learning with Extended Atom-Types Features for Protein-Ligand Binding Affinity Prediction
15 January 2023
M. Rana
D. Nguyen
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ArXiv (abs)
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Papers citing
"Geometric Graph Learning with Extended Atom-Types Features for Protein-Ligand Binding Affinity Prediction"
4 / 4 papers shown
A Geometric Graph-Based Deep Learning Model for Drug-Target Affinity Prediction
M. Rana
Farjana Tasnim Mukta
D. Nguyen
GNN
127
0
0
15 Sep 2025
PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks
Nikolai Schapin
Maciej Majewski
Mariona Torrens-Fontanals
Gianni De Fabritiis
137
1
0
15 Jul 2024
Machine Learning Small Molecule Properties in Drug Discovery
Artificial Intelligence Chemistry (AIC), 2023
Nikolai Schapin
Maciej Majewski
Alejandro Varela-Rial
C. Arroniz
Gianni De Fabritiis
161
29
0
02 Aug 2023
Graph Representation Learning for Interactive Biomolecule Systems
Xinye Xiong
Bingxin Zhou
Yu Guang Wang
AI4CE
GNN
489
2
0
05 Apr 2023
1